USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 684 HIS : no HE2:sc= -1.14! C(o=-2.4!,f=-1.4!) USER MOD Set 1.2: A 686 GLN : amide:sc= -1.29 K(o=-2.4,f=-0.87) USER MOD Single : A 685 HIS : no HD1:sc= -0.0273 X(o=-0.027,f=-0.26) USER MOD Single : A 687 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.385) USER MOD Single : A 697 SER OG : rot 180:sc= 0 USER MOD Single : A 698 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.6) USER MOD Single : A 699 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 706 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 714 THR OG1 : rot 25:sc= 0.638 USER MOD Single : A 719 THR OG1 : rot 77:sc= 0.931 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 724 LYS NZ :NH3+ -133:sc= -0.404 (180deg=-1.13) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 726 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 44.336 13.929 8.934 1.00 0.00 N ATOM 2 CA VAL A 683 44.083 13.459 7.575 1.00 0.00 C ATOM 3 C VAL A 683 44.853 12.167 7.302 1.00 0.00 C ATOM 4 O VAL A 683 45.155 11.850 6.150 1.00 0.00 O ATOM 5 CB VAL A 683 44.493 14.537 6.561 1.00 0.00 C ATOM 6 CG1 VAL A 683 43.539 15.732 6.667 1.00 0.00 C ATOM 7 CG2 VAL A 683 45.929 14.999 6.846 1.00 0.00 C ATOM 0 HA VAL A 683 43.017 13.257 7.471 1.00 0.00 H new ATOM 0 HB VAL A 683 44.442 14.121 5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 683 43.831 16.496 5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 683 42.521 15.405 6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 683 43.585 16.146 7.674 1.00 0.00 H new ATOM 0 HG21 VAL A 683 46.215 15.764 6.124 1.00 0.00 H new ATOM 0 HG22 VAL A 683 45.985 15.412 7.853 1.00 0.00 H new ATOM 0 HG23 VAL A 683 46.608 14.150 6.763 1.00 0.00 H new ATOM 16 N HIS A 684 44.982 11.337 8.335 1.00 0.00 N ATOM 17 CA HIS A 684 45.648 10.044 8.192 1.00 0.00 C ATOM 18 C HIS A 684 44.784 9.080 7.383 1.00 0.00 C ATOM 19 O HIS A 684 43.568 9.014 7.573 1.00 0.00 O ATOM 20 CB HIS A 684 45.947 9.433 9.569 1.00 0.00 C ATOM 21 CG HIS A 684 44.968 9.946 10.590 1.00 0.00 C ATOM 22 ND1 HIS A 684 43.604 9.722 10.489 1.00 0.00 N ATOM 23 CD2 HIS A 684 45.133 10.727 11.707 1.00 0.00 C ATOM 24 CE1 HIS A 684 43.000 10.504 11.401 1.00 0.00 C ATOM 25 NE2 HIS A 684 43.887 11.093 12.208 1.00 0.00 N ATOM 0 H HIS A 684 44.637 11.535 9.274 1.00 0.00 H new ATOM 0 HA HIS A 684 46.588 10.208 7.664 1.00 0.00 H new ATOM 0 HB2 HIS A 684 45.889 8.346 9.513 1.00 0.00 H new ATOM 0 HB3 HIS A 684 46.964 9.682 9.872 1.00 0.00 H new ATOM 0 HD1 HIS A 684 43.143 9.082 9.842 1.00 0.00 H new ATOM 0 HD2 HIS A 684 46.084 11.013 12.132 1.00 0.00 H new ATOM 0 HE1 HIS A 684 41.931 10.639 11.472 1.00 0.00 H new ATOM 33 N HIS A 685 45.440 8.245 6.580 1.00 0.00 N ATOM 34 CA HIS A 685 44.732 7.287 5.739 1.00 0.00 C ATOM 35 C HIS A 685 44.685 5.918 6.414 1.00 0.00 C ATOM 36 O HIS A 685 45.479 5.033 6.096 1.00 0.00 O ATOM 37 CB HIS A 685 45.430 7.169 4.380 1.00 0.00 C ATOM 38 CG HIS A 685 45.109 8.377 3.542 1.00 0.00 C ATOM 39 ND1 HIS A 685 43.811 8.689 3.168 1.00 0.00 N ATOM 40 CD2 HIS A 685 45.914 9.249 2.849 1.00 0.00 C ATOM 41 CE1 HIS A 685 43.866 9.793 2.403 1.00 0.00 C ATOM 42 NE2 HIS A 685 45.125 10.135 2.121 1.00 0.00 N ATOM 0 H HIS A 685 46.456 8.213 6.495 1.00 0.00 H new ATOM 0 HA HIS A 685 43.712 7.642 5.591 1.00 0.00 H new ATOM 0 HB2 HIS A 685 46.508 7.086 4.519 1.00 0.00 H new ATOM 0 HB3 HIS A 685 45.104 6.263 3.870 1.00 0.00 H new ATOM 0 HD2 HIS A 685 46.994 9.247 2.867 1.00 0.00 H new ATOM 0 HE1 HIS A 685 42.998 10.336 2.059 1.00 0.00 H new ATOM 0 HE2 HIS A 685 45.441 10.884 1.505 1.00 0.00 H new ATOM 50 N GLN A 686 43.902 5.835 7.486 1.00 0.00 N ATOM 51 CA GLN A 686 43.740 4.581 8.214 1.00 0.00 C ATOM 52 C GLN A 686 42.566 3.781 7.654 1.00 0.00 C ATOM 53 O GLN A 686 42.550 2.553 7.739 1.00 0.00 O ATOM 54 CB GLN A 686 43.501 4.874 9.698 1.00 0.00 C ATOM 55 CG GLN A 686 44.799 5.394 10.330 1.00 0.00 C ATOM 56 CD GLN A 686 44.486 6.185 11.596 1.00 0.00 C ATOM 57 OE1 GLN A 686 43.606 5.803 12.369 1.00 0.00 O ATOM 58 NE2 GLN A 686 45.205 7.234 11.892 1.00 0.00 N ATOM 0 H GLN A 686 43.372 6.618 7.868 1.00 0.00 H new ATOM 0 HA GLN A 686 44.650 3.992 8.098 1.00 0.00 H new ATOM 0 HB2 GLN A 686 42.707 5.612 9.811 1.00 0.00 H new ATOM 0 HB3 GLN A 686 43.171 3.970 10.210 1.00 0.00 H new ATOM 0 HG2 GLN A 686 45.457 4.558 10.568 1.00 0.00 H new ATOM 0 HG3 GLN A 686 45.331 6.026 9.619 1.00 0.00 H new ATOM 0 HE21 GLN A 686 45.934 7.550 11.252 1.00 0.00 H new ATOM 0 HE22 GLN A 686 45.038 7.737 12.763 1.00 0.00 H new ATOM 67 N LYS A 687 41.682 4.468 6.934 1.00 0.00 N ATOM 68 CA LYS A 687 40.515 3.817 6.346 1.00 0.00 C ATOM 69 C LYS A 687 40.915 3.012 5.113 1.00 0.00 C ATOM 70 O LYS A 687 41.896 3.334 4.444 1.00 0.00 O ATOM 71 CB LYS A 687 39.466 4.865 5.951 1.00 0.00 C ATOM 72 CG LYS A 687 39.235 5.839 7.112 1.00 0.00 C ATOM 73 CD LYS A 687 38.789 5.067 8.359 1.00 0.00 C ATOM 74 CE LYS A 687 37.951 5.981 9.259 1.00 0.00 C ATOM 75 NZ LYS A 687 38.685 7.257 9.496 1.00 0.00 N1+ ATOM 0 H LYS A 687 41.751 5.468 6.745 1.00 0.00 H new ATOM 0 HA LYS A 687 40.091 3.142 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 687 39.800 5.411 5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 687 38.530 4.373 5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 687 40.151 6.391 7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 687 38.477 6.573 6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 687 38.206 4.193 8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 687 39.660 4.703 8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 687 36.988 6.185 8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 687 37.746 5.486 10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 38.305 7.723 10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 39.696 7.055 9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 38.566 7.883 8.674 1.00 0.00 H new ATOM 89 N LEU A 688 40.073 2.047 4.752 1.00 0.00 N ATOM 90 CA LEU A 688 40.338 1.197 3.595 1.00 0.00 C ATOM 91 C LEU A 688 39.139 1.191 2.653 1.00 0.00 C ATOM 92 O LEU A 688 39.303 1.295 1.436 1.00 0.00 O ATOM 93 CB LEU A 688 40.637 -0.232 4.061 1.00 0.00 C ATOM 94 CG LEU A 688 42.120 -0.352 4.435 1.00 0.00 C ATOM 95 CD1 LEU A 688 42.296 -1.424 5.515 1.00 0.00 C ATOM 96 CD2 LEU A 688 42.932 -0.738 3.195 1.00 0.00 C ATOM 0 H LEU A 688 39.204 1.835 5.242 1.00 0.00 H new ATOM 0 HA LEU A 688 41.201 1.593 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 688 40.014 -0.483 4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 688 40.392 -0.942 3.271 1.00 0.00 H new ATOM 0 HG LEU A 688 42.473 0.606 4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 688 43.351 -1.506 5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 688 41.722 -1.147 6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 688 41.941 -2.383 5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 688 43.985 -0.823 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 688 42.577 -1.694 2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 688 42.812 0.028 2.429 1.00 0.00 H new ATOM 108 N VAL A 689 37.948 1.337 3.234 1.00 0.00 N ATOM 109 CA VAL A 689 36.716 1.365 2.450 1.00 0.00 C ATOM 110 C VAL A 689 36.643 2.637 1.609 1.00 0.00 C ATOM 111 O VAL A 689 36.123 2.623 0.492 1.00 0.00 O ATOM 112 CB VAL A 689 35.502 1.293 3.385 1.00 0.00 C ATOM 113 CG1 VAL A 689 34.211 1.384 2.564 1.00 0.00 C ATOM 114 CG2 VAL A 689 35.524 -0.031 4.156 1.00 0.00 C ATOM 0 H VAL A 689 37.812 1.437 4.240 1.00 0.00 H new ATOM 0 HA VAL A 689 36.711 0.504 1.782 1.00 0.00 H new ATOM 0 HB VAL A 689 35.542 2.124 4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 689 33.351 1.332 3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 689 34.192 2.328 2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 689 34.171 0.556 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 689 34.661 -0.080 4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 689 35.488 -0.863 3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 689 36.439 -0.094 4.745 1.00 0.00 H new ATOM 124 N PHE A 690 37.269 3.704 2.103 1.00 0.00 N ATOM 125 CA PHE A 690 37.194 5.001 1.440 1.00 0.00 C ATOM 126 C PHE A 690 37.877 4.946 0.077 1.00 0.00 C ATOM 127 O PHE A 690 37.234 5.142 -0.956 1.00 0.00 O ATOM 128 CB PHE A 690 37.869 6.070 2.307 1.00 0.00 C ATOM 129 CG PHE A 690 37.081 7.359 2.238 1.00 0.00 C ATOM 130 CD1 PHE A 690 36.817 7.950 0.995 1.00 0.00 C ATOM 131 CD2 PHE A 690 36.819 8.075 3.413 1.00 0.00 C ATOM 132 CE1 PHE A 690 36.058 9.125 0.930 1.00 0.00 C ATOM 133 CE2 PHE A 690 36.163 9.311 3.344 1.00 0.00 C ATOM 134 CZ PHE A 690 35.735 9.809 2.107 1.00 0.00 C ATOM 0 H PHE A 690 37.830 3.695 2.955 1.00 0.00 H new ATOM 0 HA PHE A 690 36.144 5.256 1.298 1.00 0.00 H new ATOM 0 HB2 PHE A 690 37.932 5.727 3.340 1.00 0.00 H new ATOM 0 HB3 PHE A 690 38.890 6.238 1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 690 37.198 7.501 0.090 1.00 0.00 H new ATOM 0 HD2 PHE A 690 37.122 7.675 4.370 1.00 0.00 H new ATOM 0 HE1 PHE A 690 35.723 9.502 -0.025 1.00 0.00 H new ATOM 0 HE2 PHE A 690 35.987 9.880 4.245 1.00 0.00 H new ATOM 0 HZ PHE A 690 35.156 10.720 2.062 1.00 0.00 H new ATOM 144 N PHE A 691 39.136 4.517 0.077 1.00 0.00 N ATOM 145 CA PHE A 691 39.875 4.325 -1.167 1.00 0.00 C ATOM 146 C PHE A 691 39.205 3.262 -2.032 1.00 0.00 C ATOM 147 O PHE A 691 39.165 3.384 -3.257 1.00 0.00 O ATOM 148 CB PHE A 691 41.315 3.902 -0.859 1.00 0.00 C ATOM 149 CG PHE A 691 42.231 5.100 -0.970 1.00 0.00 C ATOM 150 CD1 PHE A 691 42.578 5.600 -2.232 1.00 0.00 C ATOM 151 CD2 PHE A 691 42.710 5.727 0.187 1.00 0.00 C ATOM 152 CE1 PHE A 691 43.361 6.756 -2.335 1.00 0.00 C ATOM 153 CE2 PHE A 691 43.552 6.842 0.082 1.00 0.00 C ATOM 154 CZ PHE A 691 43.849 7.376 -1.178 1.00 0.00 C ATOM 0 H PHE A 691 39.664 4.296 0.921 1.00 0.00 H new ATOM 0 HA PHE A 691 39.881 5.269 -1.712 1.00 0.00 H new ATOM 0 HB2 PHE A 691 41.374 3.479 0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 691 41.632 3.124 -1.553 1.00 0.00 H new ATOM 0 HD1 PHE A 691 42.242 5.094 -3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 691 42.430 5.351 1.160 1.00 0.00 H new ATOM 0 HE1 PHE A 691 43.589 7.169 -3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 691 43.971 7.289 0.971 1.00 0.00 H new ATOM 0 HZ PHE A 691 44.455 8.267 -1.258 1.00 0.00 H new ATOM 164 N ALA A 692 38.549 2.307 -1.376 1.00 0.00 N ATOM 165 CA ALA A 692 37.842 1.248 -2.088 1.00 0.00 C ATOM 166 C ALA A 692 36.693 1.825 -2.907 1.00 0.00 C ATOM 167 O ALA A 692 36.280 1.237 -3.907 1.00 0.00 O ATOM 168 CB ALA A 692 37.293 0.224 -1.091 1.00 0.00 C ATOM 0 H ALA A 692 38.493 2.246 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 692 38.545 0.760 -2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 692 36.767 -0.563 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 692 38.117 -0.212 -0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 692 36.604 0.717 -0.405 1.00 0.00 H new ATOM 174 N GLU A 693 36.097 2.901 -2.401 1.00 0.00 N ATOM 175 CA GLU A 693 34.967 3.527 -3.077 1.00 0.00 C ATOM 176 C GLU A 693 35.430 4.261 -4.332 1.00 0.00 C ATOM 177 O GLU A 693 34.819 4.130 -5.392 1.00 0.00 O ATOM 178 CB GLU A 693 34.269 4.511 -2.128 1.00 0.00 C ATOM 179 CG GLU A 693 32.752 4.311 -2.202 1.00 0.00 C ATOM 180 CD GLU A 693 32.364 2.987 -1.546 1.00 0.00 C ATOM 181 OE1 GLU A 693 32.493 2.889 -0.336 1.00 0.00 O1- ATOM 182 OE2 GLU A 693 32.055 2.058 -2.274 1.00 0.00 O ATOM 0 H GLU A 693 36.376 3.354 -1.531 1.00 0.00 H new ATOM 0 HA GLU A 693 34.264 2.747 -3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 693 34.617 4.355 -1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 693 34.524 5.536 -2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 693 32.244 5.136 -1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 693 32.427 4.319 -3.242 1.00 0.00 H new ATOM 189 N ASP A 694 36.621 4.851 -4.252 1.00 0.00 N ATOM 190 CA ASP A 694 37.100 5.732 -5.309 1.00 0.00 C ATOM 191 C ASP A 694 37.363 4.942 -6.588 1.00 0.00 C ATOM 192 O ASP A 694 36.856 5.296 -7.653 1.00 0.00 O ATOM 193 CB ASP A 694 38.389 6.432 -4.862 1.00 0.00 C ATOM 194 CG ASP A 694 38.541 7.761 -5.595 1.00 0.00 C ATOM 195 OD1 ASP A 694 39.036 7.745 -6.710 1.00 0.00 O1- ATOM 196 OD2 ASP A 694 38.064 8.758 -5.077 1.00 0.00 O ATOM 0 H ASP A 694 37.267 4.735 -3.471 1.00 0.00 H new ATOM 0 HA ASP A 694 36.332 6.479 -5.510 1.00 0.00 H new ATOM 0 HB2 ASP A 694 38.366 6.601 -3.785 1.00 0.00 H new ATOM 0 HB3 ASP A 694 39.249 5.794 -5.066 1.00 0.00 H new ATOM 201 N VAL A 695 37.919 3.745 -6.418 1.00 0.00 N ATOM 202 CA VAL A 695 38.240 2.881 -7.553 1.00 0.00 C ATOM 203 C VAL A 695 37.206 1.770 -7.693 1.00 0.00 C ATOM 204 O VAL A 695 37.266 0.978 -8.637 1.00 0.00 O ATOM 205 CB VAL A 695 39.636 2.271 -7.366 1.00 0.00 C ATOM 206 CG1 VAL A 695 40.678 3.391 -7.282 1.00 0.00 C ATOM 207 CG2 VAL A 695 39.671 1.444 -6.075 1.00 0.00 C ATOM 0 H VAL A 695 38.157 3.351 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 695 38.227 3.484 -8.461 1.00 0.00 H new ATOM 0 HB VAL A 695 39.862 1.626 -8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 695 41.669 2.957 -7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 695 40.658 3.976 -8.202 1.00 0.00 H new ATOM 0 HG13 VAL A 695 40.449 4.038 -6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 695 40.664 1.013 -5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 695 39.441 2.086 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 695 38.933 0.644 -6.135 1.00 0.00 H new ATOM 217 N GLY A 696 36.381 1.605 -6.666 1.00 0.00 N ATOM 218 CA GLY A 696 35.254 0.683 -6.745 1.00 0.00 C ATOM 219 C GLY A 696 35.606 -0.662 -6.114 1.00 0.00 C ATOM 220 O GLY A 696 34.954 -1.093 -5.163 1.00 0.00 O ATOM 0 H GLY A 696 36.470 2.093 -5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 696 34.391 1.113 -6.237 1.00 0.00 H new ATOM 0 HA3 GLY A 696 34.970 0.537 -7.787 1.00 0.00 H new ATOM 224 N SER A 697 36.760 -1.203 -6.496 1.00 0.00 N ATOM 225 CA SER A 697 37.262 -2.429 -5.884 1.00 0.00 C ATOM 226 C SER A 697 38.755 -2.588 -6.156 1.00 0.00 C ATOM 227 O SER A 697 39.153 -2.920 -7.273 1.00 0.00 O ATOM 228 CB SER A 697 36.509 -3.639 -6.444 1.00 0.00 C ATOM 229 OG SER A 697 37.160 -4.835 -6.041 1.00 0.00 O ATOM 0 H SER A 697 37.362 -0.814 -7.222 1.00 0.00 H new ATOM 0 HA SER A 697 37.103 -2.368 -4.807 1.00 0.00 H new ATOM 0 HB2 SER A 697 35.479 -3.636 -6.087 1.00 0.00 H new ATOM 0 HB3 SER A 697 36.470 -3.584 -7.532 1.00 0.00 H new ATOM 0 HG SER A 697 36.675 -5.608 -6.399 1.00 0.00 H new ATOM 235 N ASN A 698 39.569 -2.158 -5.195 1.00 0.00 N ATOM 236 CA ASN A 698 41.016 -2.316 -5.306 1.00 0.00 C ATOM 237 C ASN A 698 41.482 -3.576 -4.583 1.00 0.00 C ATOM 238 O ASN A 698 42.527 -4.133 -4.914 1.00 0.00 O ATOM 239 CB ASN A 698 41.722 -1.090 -4.716 1.00 0.00 C ATOM 240 CG ASN A 698 42.765 -0.562 -5.693 1.00 0.00 C ATOM 241 OD1 ASN A 698 43.906 -0.308 -5.307 1.00 0.00 O ATOM 242 ND2 ASN A 698 42.431 -0.349 -6.936 1.00 0.00 N ATOM 0 H ASN A 698 39.255 -1.702 -4.339 1.00 0.00 H new ATOM 0 HA ASN A 698 41.270 -2.409 -6.362 1.00 0.00 H new ATOM 0 HB2 ASN A 698 40.992 -0.311 -4.497 1.00 0.00 H new ATOM 0 HB3 ASN A 698 42.199 -1.355 -3.772 1.00 0.00 H new ATOM 0 HD21 ASN A 698 43.116 0.029 -7.591 1.00 0.00 H new ATOM 0 HD22 ASN A 698 41.485 -0.560 -7.253 1.00 0.00 H new ATOM 249 N LYS A 699 40.764 -3.956 -3.528 1.00 0.00 N ATOM 250 CA LYS A 699 41.269 -4.968 -2.604 1.00 0.00 C ATOM 251 C LYS A 699 41.527 -6.282 -3.337 1.00 0.00 C ATOM 252 O LYS A 699 42.370 -7.080 -2.920 1.00 0.00 O ATOM 253 CB LYS A 699 40.269 -5.211 -1.468 1.00 0.00 C ATOM 254 CG LYS A 699 39.792 -3.874 -0.886 1.00 0.00 C ATOM 255 CD LYS A 699 39.523 -4.035 0.614 1.00 0.00 C ATOM 256 CE LYS A 699 38.519 -5.172 0.841 1.00 0.00 C ATOM 257 NZ LYS A 699 37.643 -4.846 2.002 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.843 -3.584 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 699 42.205 -4.600 -2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 699 39.416 -5.779 -1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 699 40.735 -5.811 -0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 699 40.546 -3.104 -1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 699 38.886 -3.546 -1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 699 40.454 -4.249 1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 699 39.132 -3.104 1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 699 37.914 -5.319 -0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 699 39.049 -6.107 1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 36.964 -5.619 2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 38.227 -4.727 2.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 37.126 -3.964 1.810 1.00 0.00 H new ATOM 271 N GLY A 700 40.777 -6.514 -4.414 1.00 0.00 N ATOM 272 CA GLY A 700 41.116 -7.574 -5.360 1.00 0.00 C ATOM 273 C GLY A 700 42.494 -7.340 -5.970 1.00 0.00 C ATOM 274 O GLY A 700 43.450 -8.037 -5.633 1.00 0.00 O ATOM 0 H GLY A 700 39.937 -5.986 -4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 700 41.098 -8.539 -4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 700 40.366 -7.615 -6.150 1.00 0.00 H new ATOM 278 N ALA A 701 42.629 -6.224 -6.683 1.00 0.00 N ATOM 279 CA ALA A 701 43.828 -5.972 -7.478 1.00 0.00 C ATOM 280 C ALA A 701 45.030 -5.711 -6.575 1.00 0.00 C ATOM 281 O ALA A 701 46.179 -5.818 -7.008 1.00 0.00 O ATOM 282 CB ALA A 701 43.599 -4.763 -8.389 1.00 0.00 C ATOM 0 H ALA A 701 41.928 -5.484 -6.727 1.00 0.00 H new ATOM 0 HA ALA A 701 44.033 -6.855 -8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 701 44.496 -4.578 -8.980 1.00 0.00 H new ATOM 0 HB2 ALA A 701 42.760 -4.963 -9.055 1.00 0.00 H new ATOM 0 HB3 ALA A 701 43.378 -3.886 -7.781 1.00 0.00 H new ATOM 288 N ILE A 702 44.753 -5.315 -5.334 1.00 0.00 N ATOM 289 CA ILE A 702 45.810 -5.035 -4.368 1.00 0.00 C ATOM 290 C ILE A 702 46.660 -6.281 -4.126 1.00 0.00 C ATOM 291 O ILE A 702 47.863 -6.179 -3.884 1.00 0.00 O ATOM 292 CB ILE A 702 45.184 -4.558 -3.048 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.814 -3.070 -3.160 1.00 0.00 C ATOM 294 CG2 ILE A 702 46.169 -4.764 -1.888 1.00 0.00 C ATOM 295 CD1 ILE A 702 46.056 -2.198 -2.942 1.00 0.00 C ATOM 0 H ILE A 702 43.807 -5.181 -4.976 1.00 0.00 H new ATOM 0 HA ILE A 702 46.456 -4.253 -4.767 1.00 0.00 H new ATOM 0 HB ILE A 702 44.284 -5.141 -2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 702 44.386 -2.867 -4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.052 -2.821 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 702 45.713 -4.422 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 702 46.415 -5.822 -1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 702 47.079 -4.194 -2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 702 45.781 -1.146 -3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 702 46.466 -2.390 -1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 702 46.805 -2.437 -3.697 1.00 0.00 H new ATOM 307 N ILE A 703 46.068 -7.449 -4.371 1.00 0.00 N ATOM 308 CA ILE A 703 46.784 -8.711 -4.211 1.00 0.00 C ATOM 309 C ILE A 703 48.036 -8.732 -5.085 1.00 0.00 C ATOM 310 O ILE A 703 49.098 -9.179 -4.646 1.00 0.00 O ATOM 311 CB ILE A 703 45.869 -9.884 -4.585 1.00 0.00 C ATOM 312 CG1 ILE A 703 46.485 -11.195 -4.082 1.00 0.00 C ATOM 313 CG2 ILE A 703 45.698 -9.945 -6.109 1.00 0.00 C ATOM 314 CD1 ILE A 703 45.557 -12.365 -4.414 1.00 0.00 C ATOM 0 H ILE A 703 45.101 -7.546 -4.679 1.00 0.00 H new ATOM 0 HA ILE A 703 47.085 -8.808 -3.168 1.00 0.00 H new ATOM 0 HB ILE A 703 44.893 -9.741 -4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 703 47.460 -11.350 -4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 703 46.647 -11.142 -3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.047 -10.780 -6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 703 45.254 -9.015 -6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.672 -10.084 -6.579 1.00 0.00 H new ATOM 0 HD11 ILE A 703 46.000 -13.294 -4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.592 -12.212 -3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 703 45.417 -12.424 -5.493 1.00 0.00 H new ATOM 326 N GLY A 704 47.957 -8.052 -6.224 1.00 0.00 N ATOM 327 CA GLY A 704 49.060 -8.035 -7.178 1.00 0.00 C ATOM 328 C GLY A 704 50.063 -6.938 -6.833 1.00 0.00 C ATOM 329 O GLY A 704 51.274 -7.157 -6.892 1.00 0.00 O ATOM 0 H GLY A 704 47.143 -7.507 -6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.560 -9.003 -7.178 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.673 -7.876 -8.184 1.00 0.00 H new ATOM 333 N LEU A 705 49.555 -5.836 -6.287 1.00 0.00 N ATOM 334 CA LEU A 705 50.417 -4.760 -5.803 1.00 0.00 C ATOM 335 C LEU A 705 51.240 -5.221 -4.603 1.00 0.00 C ATOM 336 O LEU A 705 52.383 -4.794 -4.432 1.00 0.00 O ATOM 337 CB LEU A 705 49.568 -3.544 -5.408 1.00 0.00 C ATOM 338 CG LEU A 705 48.846 -2.993 -6.642 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.829 -1.933 -6.208 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.864 -2.365 -7.599 1.00 0.00 C ATOM 0 H LEU A 705 48.556 -5.665 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 705 51.099 -4.482 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.841 -3.828 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.202 -2.772 -4.971 1.00 0.00 H new ATOM 0 HG LEU A 705 48.329 -3.807 -7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.315 -1.541 -7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.101 -2.382 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.346 -1.121 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.347 -1.974 -8.475 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.386 -1.552 -7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.585 -3.121 -7.910 1.00 0.00 H new ATOM 352 N MET A 706 50.745 -6.244 -3.910 1.00 0.00 N ATOM 353 CA MET A 706 51.421 -6.750 -2.718 1.00 0.00 C ATOM 354 C MET A 706 52.740 -7.424 -3.090 1.00 0.00 C ATOM 355 O MET A 706 53.703 -7.383 -2.323 1.00 0.00 O ATOM 356 CB MET A 706 50.523 -7.754 -1.989 1.00 0.00 C ATOM 357 CG MET A 706 50.877 -7.760 -0.498 1.00 0.00 C ATOM 358 SD MET A 706 49.937 -9.061 0.342 1.00 0.00 S ATOM 359 CE MET A 706 48.855 -7.982 1.310 1.00 0.00 C ATOM 0 H MET A 706 49.884 -6.736 -4.151 1.00 0.00 H new ATOM 0 HA MET A 706 51.630 -5.905 -2.061 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.475 -7.487 -2.125 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.655 -8.751 -2.410 1.00 0.00 H new ATOM 0 HG2 MET A 706 51.946 -7.928 -0.368 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.650 -6.790 -0.056 1.00 0.00 H new ATOM 0 HE1 MET A 706 48.180 -8.590 1.913 1.00 0.00 H new ATOM 0 HE2 MET A 706 49.459 -7.353 1.964 1.00 0.00 H new ATOM 0 HE3 MET A 706 48.273 -7.352 0.637 1.00 0.00 H new ATOM 369 N VAL A 707 52.818 -7.913 -4.324 1.00 0.00 N ATOM 370 CA VAL A 707 54.052 -8.509 -4.827 1.00 0.00 C ATOM 371 C VAL A 707 55.150 -7.455 -4.941 1.00 0.00 C ATOM 372 O VAL A 707 56.277 -7.674 -4.498 1.00 0.00 O ATOM 373 CB VAL A 707 53.804 -9.144 -6.200 1.00 0.00 C ATOM 374 CG1 VAL A 707 55.082 -9.841 -6.679 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.667 -10.169 -6.098 1.00 0.00 C ATOM 0 H VAL A 707 52.046 -7.909 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 707 54.375 -9.277 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 707 53.525 -8.367 -6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.906 -10.293 -7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.887 -9.111 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.363 -10.616 -5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.493 -10.618 -7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.941 -10.946 -5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.758 -9.671 -5.761 1.00 0.00 H new ATOM 385 N GLY A 708 54.766 -6.258 -5.378 1.00 0.00 N ATOM 386 CA GLY A 708 55.707 -5.146 -5.465 1.00 0.00 C ATOM 387 C GLY A 708 55.925 -4.505 -4.096 1.00 0.00 C ATOM 388 O GLY A 708 56.852 -3.715 -3.914 1.00 0.00 O ATOM 0 H GLY A 708 53.816 -6.035 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.659 -5.501 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.330 -4.400 -6.164 1.00 0.00 H new ATOM 392 N GLY A 709 55.141 -4.943 -3.111 1.00 0.00 N ATOM 393 CA GLY A 709 55.212 -4.367 -1.772 1.00 0.00 C ATOM 394 C GLY A 709 56.290 -5.052 -0.937 1.00 0.00 C ATOM 395 O GLY A 709 56.287 -4.959 0.291 1.00 0.00 O ATOM 0 H GLY A 709 54.454 -5.690 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.425 -3.300 -1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.246 -4.467 -1.278 1.00 0.00 H new ATOM 399 N VAL A 710 57.263 -5.657 -1.616 1.00 0.00 N ATOM 400 CA VAL A 710 58.404 -6.260 -0.935 1.00 0.00 C ATOM 401 C VAL A 710 59.452 -5.199 -0.606 1.00 0.00 C ATOM 402 O VAL A 710 60.104 -5.261 0.437 1.00 0.00 O ATOM 403 CB VAL A 710 59.028 -7.344 -1.824 1.00 0.00 C ATOM 404 CG1 VAL A 710 60.269 -7.926 -1.138 1.00 0.00 C ATOM 405 CG2 VAL A 710 58.007 -8.462 -2.061 1.00 0.00 C ATOM 0 H VAL A 710 57.283 -5.742 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 710 58.056 -6.710 -0.005 1.00 0.00 H new ATOM 0 HB VAL A 710 59.316 -6.903 -2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.709 -8.695 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 710 60.998 -7.133 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 710 59.984 -8.364 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 710 58.450 -9.232 -2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 710 57.717 -8.899 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 710 57.126 -8.051 -2.554 1.00 0.00 H new ATOM 415 N VAL A 711 59.633 -4.248 -1.519 1.00 0.00 N ATOM 416 CA VAL A 711 60.684 -3.246 -1.365 1.00 0.00 C ATOM 417 C VAL A 711 60.295 -2.228 -0.297 1.00 0.00 C ATOM 418 O VAL A 711 61.075 -1.946 0.612 1.00 0.00 O ATOM 419 CB VAL A 711 60.935 -2.522 -2.695 1.00 0.00 C ATOM 420 CG1 VAL A 711 62.406 -2.102 -2.776 1.00 0.00 C ATOM 421 CG2 VAL A 711 60.606 -3.450 -3.869 1.00 0.00 C ATOM 0 H VAL A 711 59.072 -4.150 -2.365 1.00 0.00 H new ATOM 0 HA VAL A 711 61.597 -3.756 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 711 60.296 -1.640 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.586 -1.588 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 711 62.639 -1.433 -1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 711 63.041 -2.986 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 711 60.787 -2.927 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.238 -4.337 -3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 711 59.559 -3.747 -3.816 1.00 0.00 H new ATOM 431 N ILE A 712 59.024 -1.834 -0.307 1.00 0.00 N ATOM 432 CA ILE A 712 58.509 -0.907 0.696 1.00 0.00 C ATOM 433 C ILE A 712 58.377 -1.598 2.052 1.00 0.00 C ATOM 434 O ILE A 712 58.560 -0.971 3.096 1.00 0.00 O ATOM 435 CB ILE A 712 57.144 -0.366 0.247 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.733 0.813 1.139 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.091 -1.475 0.344 1.00 0.00 C ATOM 438 CD1 ILE A 712 56.977 2.129 0.395 1.00 0.00 C ATOM 0 H ILE A 712 58.336 -2.140 -0.994 1.00 0.00 H new ATOM 0 HA ILE A 712 59.210 -0.079 0.800 1.00 0.00 H new ATOM 0 HB ILE A 712 57.217 -0.027 -0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 712 55.681 0.727 1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.305 0.797 2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.124 -1.087 0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.379 -2.307 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.021 -1.821 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 712 56.685 2.965 1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 712 58.035 2.215 0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 712 56.386 2.144 -0.521 1.00 0.00 H new ATOM 450 N ALA A 713 58.197 -2.917 2.023 1.00 0.00 N ATOM 451 CA ALA A 713 58.069 -3.691 3.253 1.00 0.00 C ATOM 452 C ALA A 713 59.334 -3.567 4.096 1.00 0.00 C ATOM 453 O ALA A 713 59.296 -2.995 5.184 1.00 0.00 O ATOM 454 CB ALA A 713 57.812 -5.164 2.922 1.00 0.00 C ATOM 0 H ALA A 713 58.137 -3.468 1.167 1.00 0.00 H new ATOM 0 HA ALA A 713 57.227 -3.298 3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.718 -5.734 3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.891 -5.252 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.644 -5.556 2.337 1.00 0.00 H new ATOM 460 N THR A 714 60.475 -3.831 3.464 1.00 0.00 N ATOM 461 CA THR A 714 61.757 -3.793 4.163 1.00 0.00 C ATOM 462 C THR A 714 62.038 -2.393 4.702 1.00 0.00 C ATOM 463 O THR A 714 62.471 -2.239 5.844 1.00 0.00 O ATOM 464 CB THR A 714 62.883 -4.210 3.210 1.00 0.00 C ATOM 465 OG1 THR A 714 62.625 -3.692 1.913 1.00 0.00 O ATOM 466 CG2 THR A 714 62.959 -5.739 3.143 1.00 0.00 C ATOM 0 H THR A 714 60.538 -4.072 2.475 1.00 0.00 H new ATOM 0 HA THR A 714 61.711 -4.488 5.001 1.00 0.00 H new ATOM 0 HB THR A 714 63.831 -3.815 3.577 1.00 0.00 H new ATOM 0 HG1 THR A 714 62.054 -2.899 1.985 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.760 -6.034 2.465 1.00 0.00 H new ATOM 0 HG22 THR A 714 63.160 -6.137 4.138 1.00 0.00 H new ATOM 0 HG23 THR A 714 62.011 -6.135 2.779 1.00 0.00 H new ATOM 474 N VAL A 715 61.598 -1.382 3.957 1.00 0.00 N ATOM 475 CA VAL A 715 61.783 0.004 4.372 1.00 0.00 C ATOM 476 C VAL A 715 60.970 0.297 5.630 1.00 0.00 C ATOM 477 O VAL A 715 61.536 0.600 6.682 1.00 0.00 O ATOM 478 CB VAL A 715 61.349 0.947 3.242 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.385 2.399 3.732 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.301 0.788 2.053 1.00 0.00 C ATOM 0 H VAL A 715 61.113 -1.497 3.067 1.00 0.00 H new ATOM 0 HA VAL A 715 62.838 0.165 4.592 1.00 0.00 H new ATOM 0 HB VAL A 715 60.333 0.697 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.076 3.063 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.707 2.515 4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.398 2.653 4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.994 1.457 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.316 1.036 2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 715 62.271 -0.242 1.698 1.00 0.00 H new ATOM 490 N ILE A 716 59.685 -0.040 5.577 1.00 0.00 N ATOM 491 CA ILE A 716 58.800 0.152 6.722 1.00 0.00 C ATOM 492 C ILE A 716 59.245 -0.722 7.893 1.00 0.00 C ATOM 493 O ILE A 716 59.383 -0.239 9.016 1.00 0.00 O ATOM 494 CB ILE A 716 57.357 -0.197 6.325 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.730 0.984 5.568 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.527 -0.513 7.576 1.00 0.00 C ATOM 497 CD1 ILE A 716 56.331 2.091 6.553 1.00 0.00 C ATOM 0 H ILE A 716 59.234 -0.446 4.757 1.00 0.00 H new ATOM 0 HA ILE A 716 58.846 1.196 7.032 1.00 0.00 H new ATOM 0 HB ILE A 716 57.368 -1.075 5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 716 57.438 1.375 4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 716 55.854 0.647 5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.506 -0.759 7.283 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.968 -1.361 8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.516 0.356 8.234 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.888 2.923 6.005 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.606 1.699 7.267 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.215 2.438 7.087 1.00 0.00 H new ATOM 509 N VAL A 717 59.656 -1.948 7.578 1.00 0.00 N ATOM 510 CA VAL A 717 59.998 -2.922 8.610 1.00 0.00 C ATOM 511 C VAL A 717 61.279 -2.508 9.327 1.00 0.00 C ATOM 512 O VAL A 717 61.314 -2.436 10.557 1.00 0.00 O ATOM 513 CB VAL A 717 60.184 -4.309 7.978 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.737 -5.282 9.026 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.837 -4.826 7.463 1.00 0.00 C ATOM 0 H VAL A 717 59.760 -2.289 6.622 1.00 0.00 H new ATOM 0 HA VAL A 717 59.185 -2.962 9.335 1.00 0.00 H new ATOM 0 HB VAL A 717 60.885 -4.234 7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.868 -6.266 8.576 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.698 -4.918 9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.038 -5.355 9.859 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.972 -5.810 7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.134 -4.898 8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.445 -4.137 6.714 1.00 0.00 H new ATOM 525 N ILE A 718 62.277 -2.103 8.548 1.00 0.00 N ATOM 526 CA ILE A 718 63.539 -1.630 9.109 1.00 0.00 C ATOM 527 C ILE A 718 63.300 -0.438 10.034 1.00 0.00 C ATOM 528 O ILE A 718 63.778 -0.424 11.169 1.00 0.00 O ATOM 529 CB ILE A 718 64.495 -1.230 7.976 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.077 -2.494 7.329 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.636 -0.371 8.534 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.657 -2.153 5.953 1.00 0.00 C ATOM 0 H ILE A 718 62.237 -2.093 7.529 1.00 0.00 H new ATOM 0 HA ILE A 718 63.987 -2.436 9.690 1.00 0.00 H new ATOM 0 HB ILE A 718 63.946 -0.655 7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.854 -2.915 7.967 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.301 -3.253 7.229 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.310 -0.091 7.724 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.224 0.529 8.991 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.186 -0.939 9.284 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.069 -3.054 5.498 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.869 -1.752 5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.446 -1.410 6.065 1.00 0.00 H new ATOM 544 N THR A 719 62.405 0.453 9.616 1.00 0.00 N ATOM 545 CA THR A 719 62.040 1.600 10.441 1.00 0.00 C ATOM 546 C THR A 719 61.294 1.143 11.690 1.00 0.00 C ATOM 547 O THR A 719 61.617 1.565 12.801 1.00 0.00 O ATOM 548 CB THR A 719 61.156 2.561 9.640 1.00 0.00 C ATOM 549 OG1 THR A 719 61.775 2.849 8.395 1.00 0.00 O ATOM 550 CG2 THR A 719 60.966 3.861 10.428 1.00 0.00 C ATOM 0 H THR A 719 61.923 0.404 8.719 1.00 0.00 H new ATOM 0 HA THR A 719 62.953 2.113 10.742 1.00 0.00 H new ATOM 0 HB THR A 719 60.185 2.098 9.465 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.653 2.091 7.786 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.337 4.544 9.857 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.489 3.641 11.383 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.937 4.324 10.605 1.00 0.00 H new ATOM 558 N LEU A 720 60.430 0.146 11.518 1.00 0.00 N ATOM 559 CA LEU A 720 59.587 -0.324 12.609 1.00 0.00 C ATOM 560 C LEU A 720 60.437 -0.930 13.722 1.00 0.00 C ATOM 561 O LEU A 720 60.180 -0.695 14.901 1.00 0.00 O ATOM 562 CB LEU A 720 58.600 -1.373 12.091 1.00 0.00 C ATOM 563 CG LEU A 720 57.327 -1.348 12.946 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.353 -0.306 12.385 1.00 0.00 C ATOM 565 CD2 LEU A 720 56.669 -2.730 12.926 1.00 0.00 C ATOM 0 H LEU A 720 60.297 -0.349 10.636 1.00 0.00 H new ATOM 0 HA LEU A 720 59.037 0.527 13.010 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.354 -1.172 11.048 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.054 -2.363 12.126 1.00 0.00 H new ATOM 0 HG LEU A 720 57.585 -1.086 13.972 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.449 -0.289 12.993 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.822 0.678 12.404 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.095 -0.565 11.358 1.00 0.00 H new ATOM 0 HD21 LEU A 720 55.764 -2.711 13.534 1.00 0.00 H new ATOM 0 HD22 LEU A 720 56.412 -2.996 11.901 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.362 -3.469 13.329 1.00 0.00 H new ATOM 577 N VAL A 721 61.550 -1.547 13.331 1.00 0.00 N ATOM 578 CA VAL A 721 62.484 -2.113 14.298 1.00 0.00 C ATOM 579 C VAL A 721 63.018 -1.024 15.224 1.00 0.00 C ATOM 580 O VAL A 721 62.901 -1.131 16.446 1.00 0.00 O ATOM 581 CB VAL A 721 63.654 -2.788 13.568 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.646 -3.343 14.595 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.129 -3.933 12.694 1.00 0.00 C ATOM 0 H VAL A 721 61.825 -1.667 12.356 1.00 0.00 H new ATOM 0 HA VAL A 721 61.955 -2.856 14.895 1.00 0.00 H new ATOM 0 HB VAL A 721 64.155 -2.054 12.937 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.477 -3.822 14.077 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.025 -2.528 15.212 1.00 0.00 H new ATOM 0 HG13 VAL A 721 64.143 -4.074 15.228 1.00 0.00 H new ATOM 0 HG21 VAL A 721 63.963 -4.409 12.178 1.00 0.00 H new ATOM 0 HG22 VAL A 721 62.624 -4.667 13.321 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.426 -3.538 11.960 1.00 0.00 H new ATOM 593 N MET A 722 63.384 0.110 14.634 1.00 0.00 N ATOM 594 CA MET A 722 63.951 1.213 15.404 1.00 0.00 C ATOM 595 C MET A 722 62.879 1.864 16.273 1.00 0.00 C ATOM 596 O MET A 722 63.128 2.197 17.433 1.00 0.00 O ATOM 597 CB MET A 722 64.549 2.257 14.458 1.00 0.00 C ATOM 598 CG MET A 722 65.783 1.675 13.764 1.00 0.00 C ATOM 599 SD MET A 722 67.194 1.722 14.899 1.00 0.00 S ATOM 600 CE MET A 722 67.846 3.337 14.401 1.00 0.00 C ATOM 0 H MET A 722 63.299 0.289 13.633 1.00 0.00 H new ATOM 0 HA MET A 722 64.735 0.817 16.049 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.809 2.556 13.716 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.822 3.153 15.015 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.588 0.649 13.452 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.009 2.245 12.863 1.00 0.00 H new ATOM 0 HE1 MET A 722 68.735 3.567 14.988 1.00 0.00 H new ATOM 0 HE2 MET A 722 68.106 3.314 13.343 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.090 4.103 14.573 1.00 0.00 H new ATOM 610 N LEU A 723 61.651 1.890 15.760 1.00 0.00 N ATOM 611 CA LEU A 723 60.528 2.442 16.509 1.00 0.00 C ATOM 612 C LEU A 723 60.089 1.480 17.609 1.00 0.00 C ATOM 613 O LEU A 723 59.737 1.907 18.708 1.00 0.00 O ATOM 614 CB LEU A 723 59.350 2.714 15.567 1.00 0.00 C ATOM 615 CG LEU A 723 59.750 3.759 14.518 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.641 3.881 13.469 1.00 0.00 C ATOM 617 CD2 LEU A 723 59.964 5.115 15.197 1.00 0.00 C ATOM 0 H LEU A 723 61.410 1.537 14.834 1.00 0.00 H new ATOM 0 HA LEU A 723 60.850 3.377 16.967 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.046 1.790 15.075 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.492 3.069 16.137 1.00 0.00 H new ATOM 0 HG LEU A 723 60.676 3.448 14.034 1.00 0.00 H new ATOM 0 HD11 LEU A 723 58.925 4.624 12.724 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.493 2.917 12.983 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.714 4.189 13.953 1.00 0.00 H new ATOM 0 HD21 LEU A 723 60.248 5.855 14.449 1.00 0.00 H new ATOM 0 HD22 LEU A 723 59.041 5.428 15.685 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.756 5.028 15.941 1.00 0.00 H new ATOM 629 N LYS A 724 60.303 0.187 17.374 1.00 0.00 N ATOM 630 CA LYS A 724 59.835 -0.837 18.301 1.00 0.00 C ATOM 631 C LYS A 724 60.771 -0.933 19.505 1.00 0.00 C ATOM 632 O LYS A 724 61.910 -1.386 19.374 1.00 0.00 O ATOM 633 CB LYS A 724 59.763 -2.195 17.590 1.00 0.00 C ATOM 634 CG LYS A 724 59.012 -3.204 18.469 1.00 0.00 C ATOM 635 CD LYS A 724 59.816 -4.505 18.566 1.00 0.00 C ATOM 636 CE LYS A 724 59.943 -5.137 17.174 1.00 0.00 C ATOM 637 NZ LYS A 724 61.340 -4.979 16.679 1.00 0.00 N1+ ATOM 0 H LYS A 724 60.794 -0.173 16.556 1.00 0.00 H new ATOM 0 HA LYS A 724 58.840 -0.561 18.650 1.00 0.00 H new ATOM 0 HB2 LYS A 724 59.257 -2.087 16.631 1.00 0.00 H new ATOM 0 HB3 LYS A 724 60.769 -2.560 17.380 1.00 0.00 H new ATOM 0 HG2 LYS A 724 58.855 -2.788 19.464 1.00 0.00 H new ATOM 0 HG3 LYS A 724 58.027 -3.405 18.048 1.00 0.00 H new ATOM 0 HD2 LYS A 724 60.805 -4.303 18.976 1.00 0.00 H new ATOM 0 HD3 LYS A 724 59.324 -5.199 19.248 1.00 0.00 H new ATOM 0 HE2 LYS A 724 59.679 -6.194 17.218 1.00 0.00 H new ATOM 0 HE3 LYS A 724 59.246 -4.663 16.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 61.324 -4.633 15.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 61.846 -4.296 17.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 61.827 -5.897 16.714 1.00 0.00 H new ATOM 651 N LYS A 725 60.360 -0.318 20.612 1.00 0.00 N ATOM 652 CA LYS A 725 61.161 -0.332 21.834 1.00 0.00 C ATOM 653 C LYS A 725 60.290 -0.671 23.041 1.00 0.00 C ATOM 654 O LYS A 725 60.739 -1.345 23.969 1.00 0.00 O ATOM 655 CB LYS A 725 61.819 1.036 22.046 1.00 0.00 C ATOM 656 CG LYS A 725 62.672 1.399 20.823 1.00 0.00 C ATOM 657 CD LYS A 725 63.767 2.393 21.231 1.00 0.00 C ATOM 658 CE LYS A 725 63.129 3.706 21.693 1.00 0.00 C ATOM 659 NZ LYS A 725 64.181 4.757 21.806 1.00 0.00 N1+ ATOM 0 H LYS A 725 59.481 0.194 20.688 1.00 0.00 H new ATOM 0 HA LYS A 725 61.934 -1.094 21.730 1.00 0.00 H new ATOM 0 HB2 LYS A 725 61.055 1.796 22.206 1.00 0.00 H new ATOM 0 HB3 LYS A 725 62.441 1.016 22.941 1.00 0.00 H new ATOM 0 HG2 LYS A 725 63.122 0.500 20.402 1.00 0.00 H new ATOM 0 HG3 LYS A 725 62.044 1.834 20.046 1.00 0.00 H new ATOM 0 HD2 LYS A 725 64.374 1.971 22.032 1.00 0.00 H new ATOM 0 HD3 LYS A 725 64.434 2.579 20.390 1.00 0.00 H new ATOM 0 HE2 LYS A 725 62.362 4.019 20.985 1.00 0.00 H new ATOM 0 HE3 LYS A 725 62.636 3.565 22.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 63.748 5.649 22.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 64.898 4.458 22.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 64.632 4.898 20.879 1.00 0.00 H new ATOM 673 N LYS A 726 59.089 -0.092 23.077 1.00 0.00 N ATOM 674 CA LYS A 726 58.167 -0.303 24.193 1.00 0.00 C ATOM 675 C LYS A 726 58.824 0.066 25.523 1.00 0.00 C ATOM 676 O LYS A 726 58.360 -0.351 26.585 1.00 0.00 O ATOM 677 CB LYS A 726 57.709 -1.766 24.228 1.00 0.00 C ATOM 678 CG LYS A 726 56.742 -2.025 23.069 1.00 0.00 C ATOM 679 CD LYS A 726 56.273 -3.482 23.107 1.00 0.00 C ATOM 680 CE LYS A 726 55.244 -3.719 21.996 1.00 0.00 C ATOM 681 NZ LYS A 726 55.681 -4.862 21.144 1.00 0.00 N1+ ATOM 0 H LYS A 726 58.733 0.526 22.348 1.00 0.00 H new ATOM 0 HA LYS A 726 57.302 0.343 24.045 1.00 0.00 H new ATOM 0 HB2 LYS A 726 58.570 -2.430 24.153 1.00 0.00 H new ATOM 0 HB3 LYS A 726 57.221 -1.983 25.178 1.00 0.00 H new ATOM 0 HG2 LYS A 726 55.885 -1.355 23.140 1.00 0.00 H new ATOM 0 HG3 LYS A 726 57.233 -1.815 22.119 1.00 0.00 H new ATOM 0 HD2 LYS A 726 57.123 -4.152 22.978 1.00 0.00 H new ATOM 0 HD3 LYS A 726 55.833 -3.708 24.078 1.00 0.00 H new ATOM 0 HE2 LYS A 726 54.267 -3.929 22.431 1.00 0.00 H new ATOM 0 HE3 LYS A 726 55.136 -2.820 21.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 54.982 -5.021 20.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 56.605 -4.644 20.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 55.762 -5.719 21.728 1.00 0.00 H new ATOM 695 N GLN A 727 59.734 1.036 25.468 1.00 0.00 N ATOM 696 CA GLN A 727 60.468 1.460 26.657 1.00 0.00 C ATOM 697 C GLN A 727 60.706 2.966 26.625 1.00 0.00 C ATOM 698 O GLN A 727 59.969 3.728 27.252 1.00 0.00 O ATOM 699 CB GLN A 727 61.810 0.723 26.732 1.00 0.00 C ATOM 700 CG GLN A 727 62.475 1.001 28.084 1.00 0.00 C ATOM 701 CD GLN A 727 63.857 0.357 28.127 1.00 0.00 C ATOM 702 OE1 GLN A 727 64.773 0.803 27.436 1.00 0.00 O ATOM 703 NE2 GLN A 727 64.071 -0.657 28.921 1.00 0.00 N ATOM 0 H GLN A 727 59.980 1.541 24.617 1.00 0.00 H new ATOM 0 HA GLN A 727 59.875 1.217 27.539 1.00 0.00 H new ATOM 0 HB2 GLN A 727 61.655 -0.348 26.605 1.00 0.00 H new ATOM 0 HB3 GLN A 727 62.461 1.049 25.921 1.00 0.00 H new ATOM 0 HG2 GLN A 727 62.560 2.076 28.242 1.00 0.00 H new ATOM 0 HG3 GLN A 727 61.856 0.608 28.891 1.00 0.00 H new ATOM 0 HE21 GLN A 727 63.311 -1.026 29.493 1.00 0.00 H new ATOM 0 HE22 GLN A 727 64.998 -1.080 28.969 1.00 0.00 H new ATOM 712 N TYR A 728 61.591 3.397 25.728 1.00 0.00 N ATOM 713 CA TYR A 728 61.937 4.811 25.621 1.00 0.00 C ATOM 714 C TYR A 728 61.272 5.433 24.397 1.00 0.00 C ATOM 715 O TYR A 728 60.117 5.139 24.086 1.00 0.00 O ATOM 716 CB TYR A 728 63.459 4.967 25.516 1.00 0.00 C ATOM 717 CG TYR A 728 63.936 5.989 26.523 1.00 0.00 C ATOM 718 CD1 TYR A 728 64.157 5.608 27.852 1.00 0.00 C ATOM 719 CD2 TYR A 728 64.036 7.338 26.157 1.00 0.00 C ATOM 720 CE1 TYR A 728 64.524 6.569 28.803 1.00 0.00 C ATOM 721 CE2 TYR A 728 64.455 8.288 27.096 1.00 0.00 C ATOM 722 CZ TYR A 728 64.715 7.900 28.415 1.00 0.00 C ATOM 723 OH TYR A 728 65.085 8.845 29.352 1.00 0.00 O ATOM 0 H TYR A 728 62.079 2.790 25.069 1.00 0.00 H new ATOM 0 HA TYR A 728 61.580 5.325 26.513 1.00 0.00 H new ATOM 0 HB2 TYR A 728 63.946 4.009 25.697 1.00 0.00 H new ATOM 0 HB3 TYR A 728 63.734 5.279 24.508 1.00 0.00 H new ATOM 0 HD1 TYR A 728 64.045 4.574 28.144 1.00 0.00 H new ATOM 0 HD2 TYR A 728 63.790 7.645 25.151 1.00 0.00 H new ATOM 0 HE1 TYR A 728 64.660 6.283 29.836 1.00 0.00 H new ATOM 0 HE2 TYR A 728 64.578 9.320 26.802 1.00 0.00 H new ATOM 0 HH TYR A 728 65.177 9.718 28.917 1.00 0.00 H new TER 733 TYR A 728